LICENSE
README.md
pyproject.toml
doped/__init__.py
doped/analysis.py
doped/chemical_potentials.py
doped/core.py
doped/corrections.py
doped/generation.py
doped/thermodynamics.py
doped/vasp.py
doped.egg-info/PKG-INFO
doped.egg-info/SOURCES.txt
doped.egg-info/dependency_links.txt
doped.egg-info/requires.txt
doped.egg-info/top_level.txt
doped/VASP_sets/DefectSet.yaml
doped/VASP_sets/HSESet.yaml
doped/VASP_sets/PBEsol_ConvergenceSet.yaml
doped/VASP_sets/PotcarSet.yaml
doped/VASP_sets/RelaxSet.yaml
doped/utils/__init__.py
doped/utils/displacement.mplstyle
doped/utils/displacements.py
doped/utils/doped.mplstyle
doped/utils/eigenvalues.py
doped/utils/legacy_corrections.py
doped/utils/parsing.py
doped/utils/plotting.py
doped/utils/supercells.py
doped/utils/symmetry.py
doped/utils/wyckpos.dat
tests/test_analysis.py
tests/test_chemical_potentials.py
tests/test_corrections.py
tests/test_displacements.py
tests/test_generation.py
tests/test_plotting.py
tests/test_thermodynamics.py
tests/test_vasp.py
tests/test_wyckoff.py